3-butyl-9-(furan-2-ylmethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione

Systemtic Name: 3-butyl-9-(furan-2-ylmethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Openeye Name: 3-butyl-9-(2-furylmethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione CAS Name: 3-butyl-9-(2-furanylmethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione IUPAC Name: 3-butyl-9-(furan-2-ylmethyl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-dione Traditional Name: 3-butyl-9-(2-furfuryl)-1-methyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-9-ium-2,4-quinone Formula: C18H24N5O3+ MolecularWeight: 358.41486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CO4)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(NC3=[N+](CCCN23)CC4=CC=CO4)N(C1=O)C

InChI

InChI=1S/C18H23N5O3/c1-3-4-9-23-16(24)14-15(20(2)18(23)25)19-17-21(8-6-10-22(14)17)12-13-7-5-11-26-13/h5,7,11H,3-4,6,8-10,12H2,1-2H3/p+1